0 mol 36 unq 0 iso 0 dist 4.10339 9.0321 6.40864 5.19317 5.83354 11.5666 numMergedOcc 0
1 mol 36 unq 1 iso 0 dist 4.10339 8.88147 12.0287 5.19317 5.83354 12.9653 numMergedOcc 0
2 mol 114 unq 0 iso 0 dist 5.66196 9.0904 12.0642 5.6579 5.31281 14.6006 numMergedOcc 0
3 mol 114 unq 1 iso 0 dist 5.66196 9.0904 12.0642 4.77912 8.9922 12.6804 numMergedOcc 0
4 mol 132 unq 0 iso 0 dist 7.14447 9.7415 8.45021 12.8539 8.15549 15.0138 numMergedOcc 0
5 mol 148 unq 0 iso 0 dist 6.72591 9.62458 16.2048 7.50382 9.71692 12.3723 numMergedOcc 0
6 mol 150 unq 0 iso 0 dist 6.80192 9.64273 16.2826 7.48524 9.73708 12.3565 numMergedOcc 0
7 mol 165 unq 0 iso 0 dist 3.87901 9.14728 8.46989 9.24409 8.2197 6.78432 numMergedOcc 0
8 mol 167 unq 0 iso 0 dist 6.6514 9.08844 13.8546 10.8805 9.82329 15.9543 numMergedOcc 0
9 mol 184 unq 0 iso 0 dist 9.0757 7.90504 16.2412 16.3549 9.45847 21.4378 numMergedOcc 0
10 mol 184 unq 1 iso 0 dist 9.0757 7.90504 16.2412 6.55123 7.895 13.822 numMergedOcc 0
11 mol 184 unq 2 iso 0 dist 9.0757 7.33083 11.5781 16.3549 9.45847 16.007 numMergedOcc 0
12 mol 184 unq 3 iso 0 dist 9.0757 7.33083 11.5781 6.55123 7.895 11.6951 numMergedOcc 0
13 mol 184 unq 4 iso 0 dist 7.51045 7.79858 13.5721 9.14602 9.45847 14.8416 numMergedOcc 0
14 mol 184 unq 5 iso 0 dist 7.51045 7.79858 13.5721 13.1965 7.895 16.7419 numMergedOcc 0
15 mol 184 unq 6 iso 0 dist 7.51045 7.19946 10.7092 9.14602 9.45847 10.5586 numMergedOcc 0
16 mol 184 unq 7 iso 0 dist 7.51045 7.19946 10.7092 13.1965 7.895 15.3459 numMergedOcc 0
17 mol 192 unq 0 iso 0 dist 9.67207 6.08455 7.71442 8.0557 7.30965 10.7624 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 9.09371 9.92621 12.5433 9.22288 5.2851 13.1297 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 9.94532 8.67447 10.1869 5.75427 8.13696 7.76322 numMergedOcc 0
20 mol 276 unq 0 iso 0 dist 5.71066 8.34851 4.22314 9.16059 9.68846 13.3306 numMergedOcc 0
21 mol 283 unq 0 iso 0 dist 8.821 5.34771 5.25699 5.9309 7.53773 5.7378 numMergedOcc 0
22 mol 283 unq 1 iso 0 dist 8.821 9.2825 15.311 5.9309 7.53773 15.1853 numMergedOcc 0
23 mol 283 unq 2 iso 0 dist 9.82337 5.34771 14.4262 14.0912 8.3815 19.4008 numMergedOcc 0
24 mol 283 unq 3 iso 0 dist 9.82337 5.34771 14.4262 10.1502 7.13925 14.3866 numMergedOcc 0
25 mol 283 unq 4 iso 0 dist 9.82337 9.2825 5.14397 14.0912 8.3815 13.2792 numMergedOcc 0
26 mol 283 unq 5 iso 0 dist 9.82337 9.2825 5.14397 10.1502 7.13925 6.91284 numMergedOcc 0
27 mol 283 unq 6 iso 0 dist 6.3448 9.40332 14.4262 11.5049 8.3815 19.4008 numMergedOcc 0
28 mol 283 unq 7 iso 0 dist 6.3448 9.40332 14.4262 5.47552 7.13925 14.3866 numMergedOcc 0
29 mol 283 unq 8 iso 0 dist 6.3448 5.8676 5.14397 11.5049 8.3815 13.2792 numMergedOcc 0
30 mol 283 unq 9 iso 0 dist 6.3448 5.8676 5.14397 5.47552 7.13925 6.91284 numMergedOcc 0
